Information card for entry 2230611

Structure parameters

• Chemical name: (2<i>E</i>)-4-<i>tert</i>-butyl-2-(4-methoxybenzylidene)-3,4- dihydronaphthalen-1(2<i>H</i>)-one
• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: COc1ccc(cc1)/C=C1\CC(c2c(C1=O)cccc2)C(C)(C)C
• Title of publication: (2<i>E</i>)-4-<i>tert</i>-Butyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Authors of publication: Akhazzane, Mohamed; Zouihri, Hafid; Daoudi, Maria; Kerbal, Abdelali; Al Houari, Ghali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1828
• a: 11.2265 ± 0.0002 Å
• b: 21.763 ± 0.0005 Å
• c: 14.8001 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3615.99 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes